(5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C24H22N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C24H22N4O2S2
Smiles	O=C(/C(/S1)=C/C2=C(N3CCC(Cc4ccccc4)CC3)N=C(C=CC=C3)N3C2=O)NC1=S
InChI	InChI=1S/C24H22N4O2S2/c29-22-19(32-24(31)26-22)15-18-21(25-20-8-4-5-11-28(20)23(18)30)27-12-9-17(10-13-27)14-16-6-2-1-3-7-16/h1-8,11,15,17H,9-10,12-14H2,(H,26,29,31)
InChIK	ROMDWOPHLBUDBK-UHFFFAOYSA-N
TotalMolweight	462.597
Molweight	462.597
MonoisotopicMass	462.118416
CLogP	2.1226
CLogS	-5.703
H Acceptors	6
H Donors	1
TotalSurfaceArea	341.92
Relative PSA	0.29726
PolarSurfaceArea	122.4
Druglikeness	7.3662
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon

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1 - (5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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